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3AY9
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BU of 3ay9 by Molmil
Crystal structure of human Hsp70 NBD in the ADP-, Mg ion-, and K ion-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Arakawa, A, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-05-03
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical and structural studies on the high affinity of Hsp70 for ADP.
Protein Sci., 20, 2011
1FQ5
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BU of 1fq5 by Molmil
X-ray structure of a cyclic statine inhibitor PD-129,541 bound to yeast proteinase A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SACCHAROPEPSIN, ...
Authors:Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B.
Deposit date:2000-09-03
Release date:2000-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
3E5A
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BU of 3e5a by Molmil
Crystal structure of Aurora A in complex with VX-680 and TPX2
Descriptor: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ...
Authors:Zhao, B, Smallwood, A, Lai, Z.
Deposit date:2008-08-13
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
1D4L
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BU of 1d4l by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
3EGV
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BU of 3egv by Molmil
Ribosomal protein L11 methyltransferase (PrmA) in complex with trimethylated ribosomal protein L11
Descriptor: 50S ribosomal protein L11, CHLORIDE ION, GLYCEROL, ...
Authors:Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2008-09-11
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Multiple-site trimethylation of ribosomal protein L11 by the PrmA methyltransferase.
Structure, 16, 2008
1D8F
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BU of 1d8f by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.
Descriptor: CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
Authors:Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y.
Deposit date:1999-10-22
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of piperazine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 43, 2000
3EHU
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BU of 3ehu by Molmil
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Corticoliberin, ...
Authors:Pioszak, A.A, Xu, H.E.
Deposit date:2008-09-14
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
1D4K
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BU of 1d4k by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
3EHT
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BU of 3eht by Molmil
Crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (CRFR1) in complex with CRF
Descriptor: Corticoliberin, FUSION PROTEIN OF CRFR1 EXTRACELLULAR DOMAIN AND MBP, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Pioszak, A.A, Xu, H.E.
Deposit date:2008-09-14
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Molecular Recognition of Corticotropin-releasing Factor by Its G-protein-coupled Receptor CRFR1.
J.Biol.Chem., 283, 2008
1T6B
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BU of 1t6b by Molmil
Crystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin receptor
Descriptor: Anthrax toxin receptor 2, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Santelli, E, Bankston, L.A, Leppla, S.H, Liddington, R.C.
Deposit date:2004-05-05
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a complex between anthrax toxin and its host cell receptor
Nature, 430, 2004
5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
Descriptor: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-04
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
7B9X
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BU of 7b9x by Molmil
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Descriptor: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
Authors:Orts, J, Torres, F, Milbradt, A.G, Walser, R.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
2DHR
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BU of 2dhr by Molmil
Whole cytosolic region of ATP-dependent metalloprotease FtsH (G399L)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FtsH
Authors:Suno, R, Niwa, H, Tsuchiya, D, Zhang, X, Yoshida, M, Morikawa, K.
Deposit date:2006-03-24
Release date:2006-06-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structure of the Whole Cytosolic Region of ATP-Dependent Protease FtsH
Mol.Cell, 22, 2006
5Z3N
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BU of 5z3n by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
Authors:Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
Deposit date:2018-01-08
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5Z6M
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BU of 5z6m by Molmil
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Watanabe, N, Nagae, T, Yamada, H.
Deposit date:2018-01-23
Release date:2018-09-19
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
5ZAL
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BU of 5zal by Molmil
Cryo-EM structure of human Dicer and its complexes with a pre-miRNA substrate
Descriptor: Endoribonuclease Dicer, RISC-loading complex subunit TARBP2, RNA (73-mer)
Authors:Liu, Z, Wang, J, Cheng, H, Ke, X, Sun, L, Zhang, Q.C, Wang, H.-W.
Deposit date:2018-02-07
Release date:2018-05-09
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM Structure of Human Dicer and Its Complexes with a Pre-miRNA Substrate.
Cell, 173, 2018
5ZC6
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BU of 5zc6 by Molmil
Solution structure of H-RasT35S mutant protein in complex with KBFM123
Descriptor: 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide, GTPase HRas, MAGNESIUM ION, ...
Authors:Matsumoto, S, Hayashi, Y, Hiraga, T, Matsuo, K, Kataoka, T.
Deposit date:2018-02-15
Release date:2018-09-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular Basis for Allosteric Inhibition of GTP-Bound H-Ras Protein by a Small-Molecule Compound Carrying a Naphthalene Ring
Biochemistry, 57, 2018
5Z4E
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BU of 5z4e by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09
Descriptor: TxnO9
Authors:Song, Y.J, Cao, C.Y.
Deposit date:2018-01-11
Release date:2018-12-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018
5ZLD
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BU of 5zld by Molmil
SOLUTION NMR STRUCTURE OF A 14-MER DOUBLE STRANDED DNA DUPLEX CGCGAAATTTCGCG
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*TP*TP*TP*CP*GP*CP*G)-3')
Authors:Ganguly, S, Basu, G.
Deposit date:2018-03-27
Release date:2018-04-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA Minor Groove-Induced cis - trans Isomerization of a Near-Infrared Fluorescent Probe.
Biochemistry, 2021
8POP
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BU of 8pop by Molmil
HK97 small terminase in complex with DNA
Descriptor: DNA (31-MER), Terminase small subunit
Authors:Chechik, M, Greive, S.J, Antson, A.A, Jenkins, H.T.
Deposit date:2023-07-05
Release date:2023-08-09
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for DNA recognition by a viral genome-packaging machine.
Proc.Natl.Acad.Sci.USA, 121, 2024
5ZCZ
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BU of 5zcz by Molmil
Solution structure of the T. Thermophilus HB8 TTHA1718 protein in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: Heavy metal binding protein
Authors:Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-02-22
Release date:2019-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
5Z8Q
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BU of 5z8q by Molmil
Solution structure of the SBDalpha domain of yeast Ssa1
Descriptor: Heat shock protein SSA1
Authors:Gong, W, Hu, W, Perrett, S.
Deposit date:2018-02-01
Release date:2018-09-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast.
J. Biol. Chem., 293, 2018
5Z8I
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BU of 5z8i by Molmil
Solution structure of the SBDbeta domain of yeast Ssa1
Descriptor: Heat shock protein SSA1
Authors:Gong, W, Hu, W, Wu, H, Perrett, S.
Deposit date:2018-01-31
Release date:2018-09-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast.
J. Biol. Chem., 293, 2018
5ZD0
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BU of 5zd0 by Molmil
Solution structure of human ubiquitin with three alanine mutations in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: ubiquitin
Authors:Tanaka, T, Ikeya, T, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-02-22
Release date:2019-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
5Z4F
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BU of 5z4f by Molmil
An anthrahydroquino-Gama-pyrone synthase Txn09 complexed with SUM
Descriptor: 1,8-dihydroxy-2-[(4R)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione, TxnO9
Authors:Song, Y.J, Cao, C.Y.
Deposit date:2018-01-11
Release date:2019-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Enzymology of Anthraquinone-gamma-Pyrone Ring Formation in Complex Aromatic Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 57, 2018

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